CID 11681983

2,6-diphenyl-3-phenylsulfanyl-piperidin-4-one

Structural Information

Molecular Formula
C23H21NOS
SMILES
C1C(NC(C(C1=O)SC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21NOS/c25-21-16-20(17-10-4-1-5-11-17)24-22(18-12-6-2-7-13-18)23(21)26-19-14-8-3-9-15-19/h1-15,20,22-24H,16H2
InChIKey
VRNWRGOWZHCOLN-UHFFFAOYSA-N
Compound name
2,6-diphenyl-3-phenylsulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.1344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14168 185.0
[M+Na]+ 382.12362 190.3
[M-H]- 358.12712 193.8
[M+NH4]+ 377.16822 195.2
[M+K]+ 398.09756 181.8
[M+H-H2O]+ 342.13166 174.6
[M+HCOO]- 404.13260 197.4
[M+CH3COO]- 418.14825 193.4
[M+Na-2H]- 380.10907 185.2
[M]+ 359.13385 180.3
[M]- 359.13495 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.